Mechanism of oxygen adsorption on surfaces of γ-TiAl

We studied the adsorption behavior of oxygen on low index surfaces of γ-TiAl via first principles to investigate the mechanism that drives the adsorption behavior. The (100) surface is the most stable surface energetically followed by the (111), (110) and (001) surfaces. A study of the adsorption of a single oxygen atom on surfaces of TiAl showed that the O atom prefers the Ti-rich environment that has a high potential of generating TiO₂. Competition between O-Al bonding and O-Ti bonding was observed in the O adsorbed surface regions. However, the O-Ti interaction dominates the adsorption behavior in all considered systems except when O is adsorbed on an Al-terminated (001) surface as the O–Al bond is stronger than O–Ti bond. A linear relationship between adsorption energy and integration of orbital overlaps between the O atom and the metals is obtained, which indicates that the electronic structure controls the adsorption behavior of an O atom on a γ-TiAl surface — an opportunity to improve the oxidation resistance of γ-TiAl based alloys.     

Impact of γ-rays on constructional,optical and thermal behavior of alkaline and non alkaline low density polyethylene

ABSTRACT

In this study, we investigated the graft copolymerization of methyl methacrylate (MMA) onto low-density polyethylene (LDPE) in the presence of aniline as an inhibitor by gamma radiation. An alkaline treatment was carried out for the prepared graft copolymer. The structural properties of the prepared samples were examined via X-ray diffraction (XRD) and scanning electron microscopy (SEM). The XRD peaks were slightly shifted, indicating an interaction between MMA and the polyethylene matrix. The morphology of the samples confirmed the homogenous grafted phase scattered onto the LDPE surface. Analysis of the absorption spectra indicated an allowed indirect transition mechanism. The Urbach energy (E_U) results showed that the value of the E_U for grafted LDPE was found to be higher than that of pure LDPE—up to 15?kGy irradiation dose, although this value decreases upon grafting. However, the value of the E_U for alkaline-treated grafted films decreases systematically by increasing the degree of grafting. The thermogravimetric analysis (TGA) of the sample indicated that the thermal stability of LDPE samples is significantly changed by grafting MMA onto it. Horowitz and Metzger's models were utilized to measure the activation energy of the thermal decomposition of all samples.     

Jahn–Teller effect and the formation of anticorrosive protective layers of nitrilo-tris-methylene-phosphonates on surfaces of steel

Nitrilo-tris-methylene-phosphonato-three-aqua-complexes of chromium(II) and iron(II), the main components of protective layers for inhibiting steel corrosion with nitrilo-tris-methylene-phosphonates, are isolated and studied. Their ability to form protective layers is explained by their insolubility and resistance to water and air. These properties of Cr and Fe complexes are explained by Jahn–Teller distortion of the coordination environment of Cr and Fe atoms.     

Study on the surface performance of carbon fibres irradiated by γ-ray under different irradiation dose

The technology of high-energy irradiation is widely used in the field of material interface modification because of its high efficiency, energy conservation and environment friendliness. In this paper, γ-ray irradiation graft technology was used in order to enhance the surface performance of the carbon fibre (CF). The surface chemical elements and functional groups of untreated and irradiated CF were observed by photoelectron spectroscopy (XPS). The results show that the value of O/C and the quantity of oxygen functional groups on CF surface were enhanced efficiently after treatment by γ-ray irradiation graft technology. The morphology of CF was characterized by scanning electron microscopy (SEM) and atom forced microscopy (AFM), respectively. The surface roughness of CF was greatly increased compared with the untreated CF. Moreover, the interface performance was clearly improved after irradiation.     

Comparative study of adsorption characteristics of Cs on the GaN （0001） and GaN （0001） surfaces

The adsorption characteristics of Cs on GaN （0001） and GaN （0001） surfaces with a coverage from 1/4 to 1 monolayer have been investigated using the density functional theory with a plane-wave uttrasoft pseudopotential method based on first-principles calculations. The results show that the most stable position of the Cs adatom on the GaN （0001） surface is at the N-bridge site for 1/4 monolayer coverage. As the coverage of Cs atoms at the N-bridge site is increased, the adsorption energy reduces. As the Cs atoms achieve saturation, the adsorption is no longer stable when the coverage is 3/4 monolayer. The work function achieves its minimum value when the Cs adatom coverage is 2/4 monolayer, and then rises with Cs atomic coverage. The most stable position of Cs adatoms on the GaN （000i） surface is at H3 site for 1/4 monolayer coverage. As the Cs atomic coverage at H3 site is increased, the adsorption energy reduces, and the adsorption is still stable when the Cs adatom coverage is 1 monolayer. The work function reduces persistently, and does not rise with the increase of Cs coverage.     

Study on the double transmission of ultrasonic waves through statistic rough surfaces

l lntroductionThe interaction of an acoustic wave with a random rough interface between two differentmedia is still of considerable interest although it has been studied fOr a long time. It is main1ydue to the complekity of the olltcome of the interaction that a single incident wat'e can produceboth longitudinal and shear bu1k waves in both media, aJs well as su-rface waves propagatingalong the interface. The scattered fields of these wates are dependent upon the surface rough-ness. All of th…     

Studies of the gamma-strength function and low energy levels in 65Ga using the (p, γ) average resonance method

The ⁶⁴Zn(p, γ)⁶⁵Ga reaction has been studied in the proton energy ranges E_p = 2.0–2.9 and 3.3–4.3 MeV. Using a three-crystal pair spectrometer, gamma-ray spectra of primary transitions were measured throughout this proton energy interval in steps of about 20 keV. An average gamma ray spectrum for each energy region was formed by adding all the relevant individual spectra after adjustment due to the change of the proton energy. In the excitation energy range 0.0–3.7 MeV 50 levels, of which 20 are new, were observed. The gamma strength function was deduced from the average intensities of the primary gamma-rays. The absolute value of the strength function was found to be 5–10 times smaller than that expected from the extrapolation of the lorentzian shape of the El giant resonance.     

Comparative study of adsorption characteristics of Cs on the GaN(0001) and GaN(000) surfaces

The adsorption characteristics of Cs on GaN(0001) and GaN(000) surfaces with a coverage from 1/4 to 1 monolayer have been investigated using the density functional theory with a plane-wave ultrasoft pseudopotential method based on first-principles calculations.The results show that the most stable position of the Cs adatom on the GaN(0001) surface is at the N-bridge site for 1/4 monolayer coverage.As the coverage of Cs atoms at the N-bridge site is increased,the adsorption energy reduces.As the Cs atoms achieve saturation,the adsorption is no longer stable when the coverage is 3/4 monolayer.The work function achieves its minimum value when the Cs adatom coverage is 2/4 monolayer,and then rises with Cs atomic coverage.The most stable position of Cs adatoms on the GaN(000) surface is at H3 site for 1/4 monolayer coverage.As the Cs atomic coverage at H3 site is increased,the adsorption energy reduces,and the adsorption is still stable when the Cs adatom coverage is 1 monolayer.The work function reduces persistently,and does not rise with the increase of Cs coverage.     

Estimation and prediction of the roughness function on realistic surfaces

Large-eddy simulations are carried out in turbulent open-channel flows to determine the roughness function and the equivalent sand-grain roughness height, k_s, over sand-grain roughness and different types of realistic roughness replicated from hydraulic turbine blades. A range of Reynolds numbers and mean roughness heights is chosen, leading to both transitionally and fully rough regimes. The start of the fully rough regime is shown to depend on the roughness type, and k_s depends strongly on the surface topography. We then examine several existing correlations that predict k_s based on the information of the surface geometry. In the cases where the surface slope is an important parameter, the moments of surface height statistics do not predict the roughness function, while the existing forms of slope-based correlations perform well. The range of applicability of various correlations is shown to vary with the roughness topography, as the critical value of the effective slope, separating the waviness and roughness regimes, is shown to be higher for a realistic surface, compared to the value for the more regular types of roughness that were previously studied.     

Existence,regularity, and asymptotic behavior of the solutions to the Ginzburg-Landau equations on ℝ3

This paper studies the solutions of the Ginzburg-Landau equations on ³ in the presence of an arbitrarily distributed external magnetic field. The existence and regularity of the solutions at the lowest energy level are established. The solutions found are in the Coulomb gauge. If the external field is sufficiently regular, the solutions are shown to have nice asymptotic decay properties at infinity.     

Synthesis of carbon loaded γ-Fe2O3 nanocomposite and their applicability for the selective removal of binary mixture of dyes by ultrasonic adsorption based on response surface methodology

The contemporary problems concerning water purification could be resolved by using nanosorbents. The present studies emphasis on the synthesis of γ-Fe₂O₃-activated carbon nanocomposites (γ-Fe₂O₃-NP-AC) by sol-gel method. The composition and surface morphology of them were studied by FTIR, EDS, SEM and XRD techniques. Moreover they were employed for the selective removal of binary mixture of dyes including reactive red 223 dye (RR) and Malachite Green dye (MG) by ultrasonic assisted adsorption method. Sonication is the act of applying sound energy to agitate particles in the sample. The ultrasonic frequencies (>20 kHz) were used to agitate experimental solutions in current studies. The response surface methodology based on 5 factorial central composite design (CCD) was employed to investigate the optimum parameters of adsorption. The optimum operating parameters (OOP) including sonication time, solution pH, amount of adsorbent, concentration of RR and MG were estimated for the selective removal of mixture of dyes. On OOP conditions of RR, the % removal of RR and MG were observed to be 92.12% and 10.05% respectively. While at OOP of MG, the % removal of MG and RR were observed to be 85.32% and 32.13% from the mixture respectively. Moreover the mechanisms of adsorption of RR and MG on the γ-Fe₂O₃-NP-AC were also illustrated. The significance of the RR-γ-Fe₂O₃-NP-AC and MG-γ-Fe₂O₃-NP-AC adsorption models was affirmed by ANOVA test. The Pareto plots for the selective removal of the RR and MG from the binary mixture also confirm the significance of the factors. Isothermal studies were performed and RR adsorption was observed to follow Langmuir isotherm model whereas MG adsorption was observed to follow Freundlich model. Thermodynamic studies were conducted and the outcomes suggested the spontaneous nature of adsorption processes. The kinetic models were employed to study the kinetics of the process. It was observed that the system followed pseudo second order, intra-particle diffusion and Elovich models as represented by the R² values of the respective models. The comparative study from the previously studies revealed that the proposed method is amongst them is the most efficient method to eliminate RR and MG dyes from the aqueous medium. Therefore the current study will be useful in reducing the toxicity of RR and MG contaminated effluent.     

Study of reflection and transmission on the moving interface of medium

The laws of refection and transimission on a moving interface between two nonvacuum medium are studied and the new method, which can be used for handling reflection and transimission on the moving interfaces between the vacuum-nonvacuum media and between two nonvacuum medium is suggested. The formula of reflection and transmission coefficients that suitable for both cases are derived. The present paper not only enriches electrodynamical theory, but also laies the foundation of optical waveguide modulators and other similar device.     

Study of reflection and transmission on the moving interface of medium

The laws of refection and transimission on a moving interface between two nonvacuum medium are studied and the new method, which can be used for handling reflection and transimission on the moving interfaces between the vacuum-nonvacuum media and between two nonvacuum medium is suggested. The formula of reflection and transmission coefficients that suitable for both cases are derived. The present paper not only enriches electrodynamical theory, but also laies the foundation of optical waveguide modulators and other similar device.     

First-principles study of Ar adsorptions on the （111） surfaces of Pd, Pt, Cu, and Rh

In the present paper we give a detailed report on the results of our first-principles investigations of Ar adsorptions at the four high symmetry sites on M （111） （M =Pd, Pt, Cu, and Rh） surfaces. Our studies indicate that the most stable adsorption sites of Ar on Pd （111） and Pt （111） surfaces are found to be the fcc-hollow sites. However, for Ar adsorptions on Cu （111） and Rh （111） surfaces, the most favorable site is the on-top site. The density of states （DOS） is analyzed for Ar adsorption on M （111） surfaces, and it is concluded that the adsorption behavior is dominated by the interaction between 3s, 3p orbits of Ar atoms and the d orbit of the base metal atoms.     

Study of the influence of thin layer loading on the propagation of Lamb waves using perturbation method

I.IntroductionSincethepublicationoftheclassicalpaper"Onthewavesinanelasticplate"byH.Lambin1917l1l,theterm"LaInbwave"hasbeenusedtorefertoanelasticdisturbancepropagatinginasolidplatewithfreeboundaries.Lambwavesarewidelyusedintheapplicationsofthedefectinspectionofthinwa.lledmaterial[2'8].InrecelltyearsLambwaveshavebeenwide1yusedinthefabricationofsensors.LamInwavesensorsdetectthechangesofenvironmentbymeasuringthechangeofphasevelocityofLambwaves.IncomparisonwithbuIkwavesandSAW's,Lambwavsprovi…     

Effects of temperature,pH, and ionic strength on the adsorption of nanoparticles at liquid–liquid interfaces

The effects of temperature, pH and sodium chloride (NaCl) concentration on the equilibrium and dynamic interfacial tension (IFT) of 4.4-nm gold nanoparticles capped with n-dodecanethiol at hydrocarbon–water interfaces was studied. The pendant drop technique was used to study the adsorption properties of these nanoparticles at the hexane–water and nonane–water interfaces. The physical size of the gold nanoparticles was determined by TEM image analysis. The interfacial properties of mixtures of these nanoparticles, having different sizes and capping agents, were then studied. The addition of NaCl was found to cause a decrease of the equilibrium and dynamic IFT greater than that which accompanies the adsorption of nanoparticles at the interface in the absence of NaCl. Although IFT values for acidic and neutral conditions were found to be similar, a noticeable decrease in the IFT was found for more basic conditions. Increasing the temperature of the system was found to cause an increase in both dynamic and equilibrium IFT values. These findings have implications for the self-assembly of functionalized gold nanoparticles at liquid–liquid interfaces.     

Probing the role of metal cations on the aggregation behavior of amyloid β-peptide at a single molecule level by AFM

With the development of nanotechnology, understanding of intermolecular interactions on a single molecule level by atomic force spectroscopy (AFM) has played an important role in molecular biology and biomedical science. In recent years, some research suggested that the presence of metal cations is an important regulator in the processes of misfolding and aggregation of the amyloid β-protein (Aβ), which may be an important etiological factor of Alzheimer’s disease. However, the knowledge on the principle of interactions between Aβ and metal cations at the single molecule level is still poor understood. In this paper, the amyloid β-protein (Aβ) was fabricated on substrate of mixed thiol-modified gold nanoparticles using self-assembled monolayer method and the adhesion force in the longitudinal direction between metal cations and Aβ42 were investigated by AFM. The role of metal ions on Aβ aggregation is discussed from the perspective of single molecular force. The force results showed that the specific adhesion force F _i and the nonspecific force F ₀ between a single Aβ–Aβ pair in control experiment were calculated as 42 ± 3 and 80 pN, respectively. However, F _i between a single Aβ–Aβ pair in the presence of Cu²⁺, Zn²⁺, Ca²⁺ and Al³⁺ increased dramatically to 84 ± 6, 89 ± 3, 73 ± 5, 95 ± 5 pN successively, which indicated that unbinding between Aβ proteins is accelerated in the presence of metal cations. What is more, the imaging results showed that substoichiometric copper cations accelerate the formation of fibrils within 3 days. The combined atomic force spectroscopy and imaging analysis indicate that metal cations play a role in promoting the aggregating behavior of Aβ42.